Infrared absorption of gaseous CH2BrOO detected with a step-scan Fourier-transform absorption spectrometer

Yu Hsuan Huang, Yuan-Pern Lee*

*此作品的通信作者

研究成果: Article同行評審

9 引文 斯高帕斯(Scopus)

摘要

CH2BrOO radicals were produced upon irradiation, with an excimer laser at 248 nm, of a flowing mixture of CH2Br2 and O2. A step-scan Fourier-transform spectrometer coupled with a multipass absorption cell was employed to record temporally resolved infrared (IR) absorption spectra of reaction intermediates. Transient absorption with origins at 1276.1, 1088.3, 961.0, and 884.9 cm-1 are assigned to ν4 (CH2-wagging), ν6 (O-O stretching), ν7 (CH2-rocking mixed with C-O stretching), and ν8 (C-O stretching mixed with CH2-rocking) modes of syn-CH2BrOO, respectively. The assignments were made according to the expected photochemistry and a comparison of observed vibrational wavenumbers, relative IR intensities, and rotational contours with those predicted with the B3LYP/aug-cc-pVTZ method. The rotational contours of ν7 and ν8 indicate that hot bands involving the torsional (ν12) mode are also present, with transitions 70112vv and 80112vv, v = 1-10. The most intense band (ν4) of anti-CH2BrOO near 1277 cm-1 might have a small contribution to the observed spectra. Our work provides information for directly probing gaseous CH2BrOO with IR spectroscopy, in either the atmosphere or laboratory experiments.

原文English
文章編號164302
期刊Journal of Chemical Physics
141
發行號16
DOIs
出版狀態Published - 1 一月 2014

指紋

深入研究「Infrared absorption of gaseous CH<sub>2</sub>BrOO detected with a step-scan Fourier-transform absorption spectrometer」主題。共同形成了獨特的指紋。

引用此